4-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C23H19N3O5ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C23H19N3O5ClFS |
| Smiles | OC(c1ccc(/C=N\NC(CN(Cc(cccc2)c2F)S(c(cc2)ccc2Cl)(=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C23H19ClFN3O5S/c24-19-9-11-20(12-10-19)34(32,33)28(14-18-3-1-2-4-21(18)25)15-22(29)27-26-13-16-5-7-17(8-6-16)23(30)31/h1-13H,14-15H2,(H,27,29)(H,30,31) |
| InChIK | SHJBCHNMPHMKNJ-UHFFFAOYSA-N |
| TotalMolweight | 503.937 |
| Molweight | 503.937 |
| MonoisotopicMass | 503.071797 |
| CLogP | 3.6751 |
| CLogS | -5.008 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 359.02 |
| Relative PSA | 0.2626 |
| PolarSurfaceArea | 124.52 |
| Druglikeness | 1.0349 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
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